SCHEMBL4640495

SCHEMBL4640495

CCNCCCN1CCN(CCCNCC)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
ACE2 Q9BYF1 1/20 0.44
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 5/20 0.41
SAT1 P21673 1/20 0.40
PAOX Q6QHF9 1/20 0.40
USP2 O75604 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21572857 1.00
SCHEMBL17277917 0.93 CYP2C19 (0.44) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL10099919 0.93 CYP2C19 (0.44) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL12612802 0.93 CYP2C19 (0.52) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL6733235 0.91 CARM1 (0.48) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL13661321 0.89 HRH3 (0.48) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL16492067 0.89 CYP2C19 (0.41) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL21727231 0.89 HRH3 (0.52) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL9120834 0.89 HRH3 (0.52) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL14446714 0.88 CYP2C19 (0.39) CYP2C19MEN1GLAKMT2ACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524934-A2 Thermoplastic polyurethane urea with biocidal properties and methods for producing same GT Elektrotechnische Produkte GmbH (DE) 2012-11-21 EP disclosed
US-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 US disclosed
EP-0934924-B1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2008-08-13 EP disclosed
WO-2008030390-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2008-03-13 WO disclosed
US-20070134729-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-06-14 US disclosed
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 US disclosed
US-20010039279-A1 Diamide compounds and compositions containing the same KOWA CO., LTD. (JP) 2001-11-08 US disclosed
US-6297283-B1 EXCELLENT INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY AND ARE HENCE USEFUL AS ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2001-10-02 US disclosed
EP-0934924-A1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-08-11 EP disclosed
US-4291151-A Process for preparing polycarbonate using cyclic di- or triamine catalyst GENERAL ELECTRIC COMPANY (US) 1981-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010039279-A1 Diamide compounds and compositions containing the same HRH4, HRH2, HRH1 CYP2C19 1000/4885MEN1 3973/4885GLA 3180/4885
US-20070134729-A1 Novel antibacterial agents ENGASE, PGLS, PEPD CYP2C19 2854/4885MEN1 3984/4885GLA 75/4885
US-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD CYP2C19 2854/4885MEN1 3984/4885GLA 75/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.